bromomethyl-di(propan-2-yloxy)borane

C7H16BBrO2 — CID 2762526

IUPACbromomethyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(CBr)OC(C)C
InChIInChI=1S/C7H16BBrO2/c1-6(2)10-8(5-9)11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyFNHYYZNZIWONBQ-UHFFFAOYSA-N
MW222.92 g/mol
LogP2.26
Rot. Bonds5

About bromomethyl-di(propan-2-yloxy)borane

bromomethyl-di(propan-2-yloxy)borane (PubChem CID 2762526) has the molecular formula C7H16BBrO2 and a molecular weight of 222.92 g/mol. Its IUPAC name is bromomethyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namebromomethyl-di(propan-2-yloxy)borane
PubChem CID2762526
Molecular FormulaC7H16BBrO2
Molecular Weight222.92 g/mol
Exact Mass222.04
IUPAC Namebromomethyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(CBr)OC(C)C
InChIInChI=1S/C7H16BBrO2/c1-6(2)10-8(5-9)11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyFNHYYZNZIWONBQ-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.92
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethyl-di(propan-2-yloxy)borane?
The IUPAC name of bromomethyl-di(propan-2-yloxy)borane (CID 2762526) is bromomethyl-di(propan-2-yloxy)borane.
What is the SMILES notation for bromomethyl-di(propan-2-yloxy)borane?
The canonical SMILES for bromomethyl-di(propan-2-yloxy)borane is CC(C)OB(CBr)OC(C)C.
What is the InChIKey of bromomethyl-di(propan-2-yloxy)borane?
The InChIKey is FNHYYZNZIWONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BBrO2/c1-6(2)10-8(5-9)11-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of bromomethyl-di(propan-2-yloxy)borane?
bromomethyl-di(propan-2-yloxy)borane has a molecular weight of 222.92 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 2762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).